2026-02-28_00000105|ligand|9KH6

cryo-EM structure of lipase/ligand/substrate complex; Electron microscopy 2.80Å
Protein #1 340 residues (98% resolved)

MEKFQILALSGGGYRGLFTATVLKELEQEAKENGHDSIADCFDLITGTSVGGIVALAIAYGIKVEAIVDLFKSHGDKIFQPKPFLKFTGSKYSNESLKTVLEEWFGDSILGDLKCPVVIPTIDFTRGSPVTLKTPHNPNLKRDWKLKIVDVALATSAAPTYFPRHPIGPNEYVDGGLFANDPSLIGLHEADYMFKKNIQDVHILSIGTLSSKKQLNPSTKKDGGYLDWGEGSILKAAPNIIDLVLSSQQQFMEQMVKHRMEPFPNQFYKIDEQIVQASAQFIGLDETSDAAKQVLEGNGIQSAKVALGKDFIRNYFNQPSRKREWFDGPQKNVGGDKLNG

MEKFQILALSGGGYRGLFTATVLKELEQEAKENGHDSIADCFDLITGTSVGGIVALAIAYGIKVEAIVDLFKSHGDKIFQPKPFLKFTGSKYSNESLKTVLEEWFGDSILGDLKCPVVIPTIDFTRGSPVTLKTPHNPNLKRDWKLKIVDVALATSAAPTYFPRHPIGPNEYVDGGLFANDPSLIGLHEADYMFKKNIQDVHILSIGTLSSKKQLNPSTKKDGGYLDWGEGSILKAAPNIIDLVLSSQQQFMEQMVKHRMEPFPNQFYKIDEQIVQASAQFIGLDETSDAAKQVLEGNGIQSAKVALGKDFIRNYFNQPSRKREWFDGPQKNVGGDKLNG
Non polymer #2 4BW

InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-10(31)12-6(40-18)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(11(13)32)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N
Non polymer #3 PEE

InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
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Reference